CID 277894

Cyclopentanone p-toluenesulfonylhydrazone

Structural Information

Molecular Formula

C₁₂H₁₆N₂O₂S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NN=C2CCCC2

InChI

InChI=1S/C12H16N2O2S/c1-10-6-8-12(9-7-10)17(15,16)14-13-11-4-2-3-5-11/h6-9,14H,2-5H2,1H3

InChIKey

SFWNHVHJYZEPSM-UHFFFAOYSA-N

Compound name

N-(cyclopentylideneamino)-4-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 252.09325 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	253.10053	155.8
[M+Na]+	275.08247	162.3
[M-H]-	251.08597	163.8
[M+NH4]+	270.12707	175.1
[M+K]+	291.05641	159.0
[M+H-H2O]+	235.09051	149.0
[M+HCOO]-	297.09145	176.5
[M+CH3COO]-	311.10710	195.2
[M+Na-2H]-	273.06792	159.2
[M]+	252.09270	155.5
[M]-	252.09380	155.5

Literature stripe

literature stripe

Patent stripe

patents stripe